SCHEMBL23622048

SCHEMBL23622048

O=Cc1c[nH]c(=O)[nH]c1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 5/20 0.45
▸ MMP2 P08253 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ATAD2 Q6PL18 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2A6 P11509 3/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10696940 0.77 DPYD (0.65) DPYDALDH1A1GAAATAD2LMNA
SCHEMBL48228 0.77 DPYD (0.65) DPYDALDH1A1GAAATAD2LMNA
SCHEMBL21345242 0.70 KDM3B (0.47) DPYDALDH1A1GAAMAPTCYP2A6
SCHEMBL1056570 0.68 — —
SCHEMBL65835 0.68 — —
SCHEMBL3403046 0.67 — —
SCHEMBL1916591 0.67 DPYD (0.63) DPYDALDH1A1GAAATAD2LMNA
SCHEMBL21345256 0.64 DPYD (0.64) DPYDMMP2ALDH1A1GAAATAD2
SCHEMBL22571173 0.64 ATAD2 (0.39) DPYDMMP2ALDH1A1GAAATAD2
SCHEMBL21345580 0.64 GAA (0.39) DPYDMMP2ALDH1A1GAAATAD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021137913-A2 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-07-08 — — WO disclosed
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